* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    119    195     356
    1     0 S   NP   _N1_     1    28.70330    93.74055   -22.04028
    2     1 S   H    _HN1     2     1.02928    92.65028    25.24505
    3     1 S   H    _H1_     3     1.02866    24.40835   153.47504
    4     1 S   H    _H2_     4     1.02800    94.92879   -83.22012
    5     1 S   CT   _CA1     5     1.50127   135.06031   148.55078
    6     5 S   HC   _HA1     6     1.09620   105.15130    62.45061
    7     5 S   CO3  _C1_     7     1.53896   111.59617   -56.82964
    8     7 S   O2Z  _O11     8     1.26325   115.32257   -68.77508
    9     7 S   O2Z  _O12     9     1.26244   114.71720   109.79760
   10     5 S   CT   _CB1    10     1.53108   107.30219   179.42020
   11    10 S   HC   HB11    11     1.09828   109.30498   -52.56834
   12    10 S   HC   HB12    12     1.09802   110.67389    63.95884
   13    10 S   CT   _CG1    13     1.52973   112.38420  -173.54779
   14    13 S   HC   HG11    14     1.09538   110.47125   -61.76177
   15    13 S   HC   HG12    15     1.09652   110.00322    57.26299
   16    13 S   C    _CD1    16     1.51809   112.18300   177.33442
   17    16 S   O    _OE1    17     1.22737   123.19571    -6.94611
   18    16 S   N    _N2_    18     1.38580   111.72546   173.90889
   19    18 S   H    _HN2    19     1.01604   119.01361    -0.39067
   20    18 S   CT1  _CA2    20     1.46225   123.39637   178.93614
   21    20 S   HC   _HA2    21     1.09731   109.41305    -9.22780
   22    20 S   C    _C2_    22     1.53473   108.40267  -124.83728
   23    22 S   O    _O2_    23     1.23029   122.18487  -146.65941
   24    20 S   CT   _CB2    32     1.53356   111.45873   112.93545
   25    24 S   HC   HB21    33     1.09500   109.41413    54.81105
   26    24 S   HC   HB22    34     1.09506   110.48443   173.74392
   27    22 S   N    _N3_    24     1.38488   113.45454    40.76939
   28    27 S   H    _HN3    25     1.01518   118.90697    -0.85134
   29    24 S   S    _SG2    35     1.82771   111.65236   -66.50698
   30    27 S   CT   _CA3    26     1.45458   123.56134   175.14308
   31    30 S   HC   HA31    27     1.09511   109.37257    21.67713
   32    30 S   HC   HA32    28     1.09495   107.08786   138.70146
   33    29 S   CT   _C11    36     1.84271    99.86410   176.36865
   34    33 S   HC   _H4_    37     1.09795   103.40585    56.75175
   35    30 S   CO3  _C3_    29     1.52911   113.02819  -101.89545
   36    35 S   O2Z  _O31    30     1.26405   115.37041   -44.99506
   37    35 S   O2Z  _O32    31     1.26348   115.00361   135.91669
   38    33 S   CA   _C12    38     1.50795   114.32960   -61.99586
   39    33 S   CT   _C10    59     1.53803   113.48174   171.85608
   40    39 S   HC   _H3_    60     1.10042   107.00332  -169.90611
   41    38 S   CA   _C13    39     1.40665   119.18972   118.78370
   42    41 S   HA   _H9_    40     1.08772   120.39755     0.64861
   43    39 S   OH   _O34    61     1.43571   108.92201   -56.02643
   44    43 S   HO   _H15    62     0.97213   107.83033   -53.49470
   45    41 S   CA   _C14    41     1.39393   120.91674  -178.85056
   46    45 S   HA   _H10    42     1.08615   120.04702   179.81025
   47    45 S   CA   _C15    43     1.38974   119.85407     0.03956
   48    47 S   HA   _H11    44     1.08612   120.12679   179.85196
   49    47 S   CA   _C16    45     1.39432   119.87867    -0.20748
   50    49 S   HA   _H12    46     1.08771   118.53813  -179.24515
   51    38 S   CA   _C17    47     1.40393   121.64026   -60.85706
   52    51 S   N    _N4_    48     1.42929   121.15718     1.10464
   53    52 S   CA   _C7_    49     1.44076   116.15202   -66.51244
   54    52 S   C    _C18    63     1.41580   118.68594   123.93975
   55    54 S   O    _O33    64     1.23388   124.93272     6.78061
   56    53 S   CA   _C6_    50     1.41706   116.74602  -129.25314
   57    56 S   HA   _H7_    51     1.08898   120.59713     0.01978
   58    54 S   N    _N5_    65     1.38114   115.37359  -168.01480
   59    58 S   H    _H13    66     1.01252   123.08004     6.96731
   60    58 S   H    _H14    67     1.01736   120.19414  -179.94405
   61    56 S   CA   _C5_    52     1.39406   122.35294   177.33413
   62    61 S   HA   _H6_    53     1.08585   120.12806  -179.76930
   63    61 S   CA   _C4_    54     1.38233   119.51738    -0.92111
   64    63 S   HA   _H5_    55     1.08566   120.42422  -179.35109
   65    63 S   CA   _C9_    56     1.39243   119.35851     0.05935
   66    65 S   HA   _H8_    57     1.08940   117.75979  -179.23664
   67    53 S   CA   _C8_    58     1.41257   124.99406    47.01185
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  15  12   5   8   4   4   1   6   3   5   3
   5   2   7  11  11   6   3   7   4   2   1   1   6   3   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    49    51    52    53    65    67    39    40    43    44  
   38    41    51    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    49    50    51    52    53    67    39    40    43    54  
   40    43    44    41    51    52    53    56    63    65    66    67  
   43    44    53    65    67  
   42    45    46    47    48    49    51    52  
   45    46    47    51  
   44    53    65    67  
   67  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    51    52  
   49    50    51  
   50    51    52    53    54  
   51    52  
   52    53    56    67    54    55    58  
   53    56    57    61    65    67    54    55    58    59    60  
   56    57    61    62    63    65    66    67    54    55    58  
   55    58    59    60    56    67  
   58    59    60  
   57    61    62    63    64    65    67  
   61    62    63    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.2500   0.1700  -0.292500   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.869600   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.616300   1.8100   1.6000   0.001000000  -1.480495490
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.959200   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   360.000  1.404
   52    53   360.000  1.404
   52    54   490.000  1.335
   53    56   469.000  1.400
   53    67   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    39   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   570.000  1.229
   54    58   490.000  1.335
   58    59   434.000  1.010
   58    60   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    67    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    70.00000  119.01900
   41    45    46    35.00000  120.00000
   41    45    47    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    70.00000  119.01900
   51    38    41    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    75.00000  115.74000
   51    52    54    65.00000  121.96500
   52    53    56    70.00000  119.01900
   52    53    67    70.00000  119.01900
   52    54    55    80.00000  122.90000
   52    54    58    90.00000  111.91700
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    67    65    63.00000  120.00000
   53    67    39    70.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    39    70.00000  120.00000
   67    53    56    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    39    40    35.00000  109.50000
   67    39    43    90.00000  112.51600
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    52    53    65.00000  121.96500
   54    58    59    35.00000  119.80000
   54    58    60    35.00000  119.80000
   58    54    55    80.00000  122.90000
   60    58    59    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    67   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67  -0.94300  1.0 1.0
   38    33    39    67   1.32550 -1.0 2.0
   38    33    39    67  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    47   3.62500 -1.0 2.0
   38    51    52    53   0.70250  1.0 1.0
   38    51    52    53   1.56150 -1.0 2.0
   38    51    52    54   1.00100  1.0 1.0
   38    51    52    54   0.85050 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45   -47    49   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -51    38   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   0.70250  1.0 1.0
   49    51    52    53   1.56150 -1.0 2.0
   49    51    52    54   1.00100  1.0 1.0
   49    51    52    54   0.85050 -1.0 2.0
   50    49    51    38   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    45   3.62500 -1.0 2.0
   51    52    53    56   0.70250  1.0 1.0
   51    52    53    56   1.56150 -1.0 2.0
   51    52    53    67   0.70250  1.0 1.0
   51    52    53    67   1.56150 -1.0 2.0
   51    52    54    55   0.04000 -1.0 2.0
   51    52    54    58   0.54900  1.0 1.0
   51    52    54    58   1.90750 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    53    67    65   3.62500 -1.0 2.0
   52    53    67    39   3.62500 -1.0 2.0
   52    54    58    59   2.56700 -1.0 2.0
   52    54    58    60   2.56700 -1.0 2.0
   53    52    54    55   0.04000 -1.0 2.0
   53    52    54    58   0.54900  1.0 1.0
   53    52    54    58   1.90750 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   53    67    39    33   0.04150 -1.0 2.0
   53    67    39    40   0.00000  1.0 1.0
   53    67    39    43   0.14300 -1.0 2.0
   53    67    39    43   0.00300  1.0 3.0
   56    53    67    65   3.62500 -1.0 2.0
   56    53    67    39   3.62500 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61   -63    65   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    53   3.62500 -1.0 2.0
   63    65    67    39   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    39    33   0.04150 -1.0 2.0
   65    67    39    40   0.00000  1.0 1.0
   65    67    39    43   0.14300 -1.0 2.0
   65    67    39    43   0.00300  1.0 3.0
   66    65    67    53   3.62500 -1.0 2.0
   66    65    67    39   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   67    53   -56    61   3.62500 -1.0 2.0
   67    39    43    44   0.31900  1.0 1.0
   67    39    43    44  -0.11800 -1.0 2.0
   67    39    43    44   0.38750  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    51   0.04150 -1.0 2.0
   40    39    43    44   0.19450  1.0 3.0
   54    52    53    56   1.00100  1.0 1.0
   54    52    53    56   0.85050 -1.0 2.0
   54    52    53    67   1.00100  1.0 1.0
   54    52    53    67   0.85050 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    60   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   49    52    51    38   4.00000 -1.0 2.0
   53    54    52    51   1.00000 -1.0 2.0
   56    67    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    39    67    53   4.00000 -1.0 2.0
   52    58    54    55  10.50000 -1.0 2.0
   60    54    58    59   1.00000 -1.0 2.0
END
